PUBCHEM-ZINC05846467 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -2.5930 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 -4.0220 0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 -4.6550 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2050 -3.9170 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4260 -4.5630 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4780 -5.9450 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3100 -6.6830 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 -6.0410 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 -6.8320 -0.0190 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8840 -8.0490 -0.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -6.2660 -0.0260 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.8120 -6.6470 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2580 -6.8670 -1.3370 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.9840 -7.9520 -2.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5630 -7.7900 -3.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1970 -6.5770 -3.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7050 -6.1780 -3.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9880 -6.0420 -2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -2.2420 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 -2.2320 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1650 -2.8370 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3410 -3.9880 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3530 -7.7620 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7130 -7.6060 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5430 -6.0320 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4020 -8.8050 -1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5320 -8.4830 -4.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3610 -5.0880 -1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 41 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M CHG 1 17 1 M END